2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-(4-nitrophenoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-(4-nitrophenoxy)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[benzyl(tert-butoxycarbonyl)amino]-5-(4-nitrophenoxy)-5-oxo-pentanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-5-(4-nitrophenoxy)-5-oxopentanoic acid IUPAC Name: 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(4-nitrophenoxy)-5-oxopentanoic acid Traditional Name: 2-[benzyl(tert-butoxycarbonyl)amino]-5-keto-5-(4-nitrophenoxy)valeric acid Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H26N2O8/c1-23(2,3)33-22(29)24(15-16-7-5-4-6-8-16)19(21(27)28)13-14-20(26)32-18-11-9-17(10-12-18)25(30)31/h4-12,19H,13-15H2,1-3H3,(H,27,28)